methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate

C11H21NO3 — CID 124681147

IUPACmethyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate
SMILESCOC(=O)CCCN[C@]1(C)CCO[C@@H]1C
InChIInChI=1S/C11H21NO3/c1-9-11(2,6-8-15-9)12-7-4-5-10(13)14-3/h9,12H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyIJWPMOZAUYWHEL-MWLCHTKSSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds5

About methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate

methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate (PubChem CID 124681147) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate
PubChem CID124681147
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate
SMILESCOC(=O)CCCN[C@]1(C)CCO[C@@H]1C
InChIInChI=1S/C11H21NO3/c1-9-11(2,6-8-15-9)12-7-4-5-10(13)14-3/h9,12H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyIJWPMOZAUYWHEL-MWLCHTKSSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dimethyloxolan-3-yl)amino]-N,N-dimethylpropanamide
CID 103581108
N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine
CID 103581461
N-hexyl-2,3-dimethyloxolan-3-amine
CID 103581298
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
CID 103581413
N-ethyl-2,3-dimethyloxolan-3-amine
CID 103581198
2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
CID 103581336
methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 114096870
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]butanoate
CID 62552200
N-tert-butyl-2-[(2,3-dimethyloxolan-3-yl)amino]acetamide
CID 103581389
N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine
CID 106115119
N-(cyclobutylmethyl)-2,3-dimethyloxolan-3-amine
CID 103581449
methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate
CID 82717713

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate?
The IUPAC name of methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate (CID 124681147) is methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate.
What is the SMILES notation for methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate?
The canonical SMILES for methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate is COC(=O)CCCN[C@]1(C)CCO[C@@H]1C.
What is the InChIKey of methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate?
The InChIKey is IJWPMOZAUYWHEL-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9-11(2,6-8-15-9)12-7-4-5-10(13)14-3/h9,12H,4-8H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate?
methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate is sourced from PubChem (CID 124681147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).